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N-Benzyloxy Naratriptan-d3

CAT: 0572-TRC-B286552-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B286552-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794937-02-2
Synonyms
N-Methyl-3-(1-methyl-4-piperidinyl)-1-(phenylmethyl)-1H-indole-5-ethanesulfonamide-d3
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N1CCC(CC1)c2cn(Cc3ccccc3)c4ccc(CCS(=O)(=O)NC)cc24
Molecular Formula
C24H28D3N3O2S
Molecular Weight
428.61
Shipping Conditions
Room Temperature

Chemical Information

N-Benzyloxy Naratriptan-d3
CAS Number1794937-02-2
PubChem CID71313893
IUPAC Name2-[1-benzyl-3-[1-(trideuteriomethyl)piperidin-4-yl]indol-5-yl]-N-methylethanesulfonamide
Molecular FormulaC24H31N3O2S
Molecular Weight428.6
XLogP3.5
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity635
SMILES
[2H]C([2H])([2H])N1CCC(CC1)C2=CN(C3=C2C=C(C=C3)CCS(=O)(=O)NC)CC4=CC=CC=C4
InChI
InChI=1S/C24H31N3O2S/c1-25-30(28,29)15-12-19-8-9-24-22(16-19)23(21-10-13-26(2)14-11-21)18-27(24)17-20-6-4-3-5-7-20/h3-9,16,18,21,25H,10-15,17H2,1-2H3/i2D3
InChIKey
MMMCMFIZEQDFST-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of N-Benzyloxy Naratriptan-d3
CAS: 1794937-02-2
CID: 71313893
Formula: C24H31N3O2S
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass428.23252865
Monoisotopic Mass428.23252865
Topological Polar Surface Area62.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity635
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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